nebconverge.pl script not working

Vasp transition state theory tools

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ranga.teja
Posts: 1
Joined: Mon Jan 18, 2021 11:48 pm

nebconverge.pl script not working

Post by ranga.teja »

Dear VTSTTools users,

I am running CI -NEB calculations and new to VTSTTools. I wish to monitor the convergence of the calculations using nebconverge.pl but when i run that i am getting the following error. can you please help me out in fixing this? Thanks in advance
Best,
Ranga


In 01 ...
0
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points

plot "fe.dat" u 1:2 axis x1y1 t "Max force" w lp lt 1 lw 2.4 pt 7 ps 0.9, "fe.dat" u 1:3 axis x1y2 t "Energy" w lp lt 3 lw 2.4 pt 7 ps 0.9
^
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: x range is invalid

In 02 ...
0
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points

plot "fe.dat" u 1:2 axis x1y1 t "Max force" w lp lt 1 lw 2.4 pt 7 ps 0.9, "fe.dat" u 1:3 axis x1y2 t "Energy" w lp lt 3 lw 2.4 pt 7 ps 0.9
^
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: x range is invalid

In 03 ...
0
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points

plot "fe.dat" u 1:2 axis x1y1 t "Max force" w lp lt 1 lw 2.4 pt 7 ps 0.9, "fe.dat" u 1:3 axis x1y2 t "Energy" w lp lt 3 lw 2.4 pt 7 ps 0.9
^
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: x range is invalid

In 04 ...
0
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points

plot "fe.dat" u 1:2 axis x1y1 t "Max force" w lp lt 1 lw 2.4 pt 7 ps 0.9, "fe.dat" u 1:3 axis x1y2 t "Energy" w lp lt 3 lw 2.4 pt 7 ps 0.9
^
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: x range is invalid

In 05 ...
0
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: warning: Skipping data file with no valid points

plot "fe.dat" u 1:2 axis x1y1 t "Max force" w lp lt 1 lw 2.4 pt 7 ps 0.9, "fe.dat" u 1:3 axis x1y2 t "Energy" w lp lt 3 lw 2.4 pt 7 ps 0.9
^
"/home/ranga/Downloads/vtstscripts-967/vef.gnu" line 12: x range is invalid
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